[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C23H30N4O5 — CID 4856558

About [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 4856558) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
• PubChem CID: 4856558
• Molecular Formula: C23H30N4O5
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.22
• IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
• SMILES: CCCCN(C(=O)COC(=O)C1(c2ccccc2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H30N4O5/c1-3-5-14-26(18-19(24)27(13-4-2)22(31)25-20(18)29)17(28)15-32-21(30)23(11-12-23)16-9-7-6-8-10-16/h6-10H,3-5,11-15,24H2,1-2H3,(H,25,29,31)
• InChIKey: PPJBZRJRKKPXPP-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 127.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?

The IUPAC name of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 4856558) is [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

What is the SMILES notation for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?

The canonical SMILES for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is CCCCN(C(=O)COC(=O)C1(c2ccccc2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O.

What is the InChIKey of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?

The InChIKey is PPJBZRJRKKPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-3-5-14-26(18-19(24)27(13-4-2)22(31)25-20(18)29)17(28)15-32-21(30)23(11-12-23)16-9-7-6-8-10-16/h6-10H,3-5,11-15,24H2,1-2H3,(H,25,29,31).

What are the key properties of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 442.52 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 4856558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).